2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine

C21H17F2N3O — CID 143960025

IUPAC2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine
SMILESCOc1c2[nH]c3ccc(F)cc3c2cc2c3cc(F)ccc3n(CCN)c12
InChIInChI=1S/C21H17F2N3O/c1-27-21-19-15(13-8-11(22)2-4-17(13)25-19)10-16-14-9-12(23)3-5-18(14)26(7-6-24)20(16)21/h2-5,8-10,25H,6-7,24H2,1H3
InChIKeyKLGXBDZVIQFIBX-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.67
Rot. Bonds3

About 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine

2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine (PubChem CID 143960025) has the molecular formula C21H17F2N3O and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine
PubChem CID143960025
Molecular FormulaC21H17F2N3O
Molecular Weight365.38 g/mol
Exact Mass365.13
IUPAC Name2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine
SMILESCOc1c2[nH]c3ccc(F)cc3c2cc2c3cc(F)ccc3n(CCN)c12
InChIInChI=1S/C21H17F2N3O/c1-27-21-19-15(13-8-11(22)2-4-17(13)25-19)10-16-14-9-12(23)3-5-18(14)26(7-6-24)20(16)21/h2-5,8-10,25H,6-7,24H2,1H3
InChIKeyKLGXBDZVIQFIBX-UHFFFAOYSA-N
XLogP4.67
TPSA55.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine?
The IUPAC name of 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine (CID 143960025) is 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine is COc1c2[nH]c3ccc(F)cc3c2cc2c3cc(F)ccc3n(CCN)c12.
What is the InChIKey of 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine?
The InChIKey is KLGXBDZVIQFIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O/c1-27-21-19-15(13-8-11(22)2-4-17(13)25-19)10-16-14-9-12(23)3-5-18(14)26(7-6-24)20(16)21/h2-5,8-10,25H,6-7,24H2,1H3.
What are the key properties of 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine?
2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine has a molecular weight of 365.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine is sourced from PubChem (CID 143960025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).